3-Hydroxy Benzopyrene O-b-D-glucuronide

CAS: 60262-81-9

Ref. TR-H829405

Product Information

• Name: 3-Hydroxy Benzopyrene O-b-D-glucuronide
• Synonyms: Benzo[a]pyren-3-yl β-D-Glucopyranosiduronic Acid, 3-Hydroxybenzo[a]pyrene Glucuronide, Benzo[a]pyren-3-ol Glucuronide, Benzo[a]pyrene 3-Glucuronide, Benzo[a]pyrene-3-β-D-glucopyranosuronic Acid
• Brand: TRC
• Description: Applications 3-Hydroxy Benzopyrene O-β-D-glucuronide is the glucuronide conjugate and metabolite of the carcinogen Benzopyrene (B205800). Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Bevan, D.R. et al.: Carcinogensis, 13, 403 (1992); Nishimoto, M. et al.: Xenobiotica, 22, 949 (1992);Zheng, Z. et al.: Drug Metab. Dispos., 30,397 (2002)

Chemical properties

• Molecular weight: 444.43
• Formula: C₂₆H₂₀O₇
• Color/Form: Light Yellow To Dark Yellow
• InChI: InChI=1S/C26H20O7/c27-21-22(28)24(25(30)31)33-26(23(21)29)32-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21-24,26-29H,(H,30,31)/t21-,22-,23+,24-,26+/m0/s1
• InChI key: InChIKey=SJYHOQLSWMWVSY-TYUWDEHNSA-N
• SMILES: O=C(O)[C@H]1O[C@@H](Oc2ccc3ccc4c5ccccc5cc5ccc2c3c54)[C@H](O)[C@@H](O)[C@@H]1O